ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate

C13H16N4O2 — CID 2740937

IUPACethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ncccc2N)c1C
InChIInChI=1S/C13H16N4O2/c1-4-19-13(18)11-8(2)16-17(9(11)3)12-10(14)6-5-7-15-12/h5-7H,4,14H2,1-3H3
InChIKeyIQIAOXXYXORSRB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.64
Rot. Bonds3

About ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate

ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 2740937) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate
PubChem CID2740937
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ncccc2N)c1C
InChIInChI=1S/C13H16N4O2/c1-4-19-13(18)11-8(2)16-17(9(11)3)12-10(14)6-5-7-15-12/h5-7H,4,14H2,1-3H3
InChIKeyIQIAOXXYXORSRB-UHFFFAOYSA-N
XLogP1.64
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylate
CID 722162
ethyl 5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
CID 742041
ethyl 1-(5-{[(ethylamino)carbonyl]amino}-2-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 1477623
4-({2-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridyl}amino)-4-oxobutanoic acid
CID 2740945
ethyl 4-{[4-(dimethylamino)phenyl]amino}-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 662147
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate
CID 663159
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylanilino)pyrimidine-5-carboxylate
CID 1891364
Methyl 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylate
CID 9550534
Ethyl 5-methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 17079438
Ethyl 4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 118711842
Ethyl 2,7-diamino-3-(phenyldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135510979
ethyl 1-(3-{[(isopropylamino)carbonyl]amino}-2-pyridyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2740958

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate (CID 2740937) is ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ncccc2N)c1C.
What is the InChIKey of ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is IQIAOXXYXORSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-4-19-13(18)11-8(2)16-17(9(11)3)12-10(14)6-5-7-15-12/h5-7H,4,14H2,1-3H3.
What are the key properties of ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-amino-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 2740937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).